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JGY

Summary
Name:1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
Formula:C10 H15 N3 O2
Formal charge:0
Formula weight:209.245 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
OpenEye OEToolkits2.0.61-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]pyrazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(C1CCCO1)NC(c2ccn(C)n2)=O
InChIInChI1.03InChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)/t8-/m0/s1
InChIKeyInChI1.03WBAZBPMBDLSPCX-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.385Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2
SMILESCACTVS3.385Cn1ccc(n1)C(=O)NC[CH]2CCCO2
SMILES_CANONICALOpenEye OEToolkits2.0.6Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2
SMILESOpenEye OEToolkits2.0.6Cn1ccc(n1)C(=O)NCC2CCCO2

217705

PDB entries from 2024-03-27

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